HuagongsheHuagongshe Chemistry Print Report · For research reference only
Hydroxyzine Hydrochloride
Hydroxyzine Impurity 11 Dihydrochloride ((-)-Hydroxyzine Dihydrochloride)
Identifiers & Physical Properties
| CAS No. | 163837-37-4 |
|---|---|
| Molecular formula | C21H29Cl3N2O2 |
| Average molar mass | 447.8 g/mol |
| Monoisotopic mass | 446.129461 g/mol |
| SMILES | Cl.Cl.OCCOCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1 |
| InChIKey | ANOMHKZSQFYSBR-UHFFFAOYSA-N |
| PubChem CID | 91513 |
| ChEMBL | CHEMBL3186993 |
| EC No. | 218-586-3 |
| DTXSID | DTXSID2040737 |
Chemical & Physical Properties
| Topological polar surface area | 35.9 |
|---|---|
| Hydrogen bond donors | 3 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 8 |
| Heavy atoms | 28 |
| Formal charge | 0 |
| Complexity | 376 |
| FDA UNII | 5AQ4KXB9U4 |
Safety & Regulations
| GHS classification | DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]H314 (11.9%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]H315 (59.7%): Causes skin irritation [Warning Skin corrosion/irritation]H317 (23.9%): May cause an allergic skin reaction [Warning Sensitization, Skin]H319 (59.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (61.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]H360 (23.9%): May damage fertility or the unborn child [Danger Reproductive toxicity]P203, P260, P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P318, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 67 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Regulatory information | Status: Active Update: 21-12-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/33066Ethanol, 2-2-4-(4-chlorophenyl)phenylmethyl-1-piperazinylethoxy-, dihydrochloride: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| Other safety information | IMAP assessments - Ethanol, 2-[2-[4-[(4-chlorophenyl)phenylmethyl]-1-piperazinyl]ethoxy]-, dihydrochloride: Environment tier I assessmentIMAP assessments - Ethanol, 2-[2-[4-[(4-chlorophenyl)phenylmethyl]-1-piperazinyl]ethoxy]-, dihydrochloride: Human health tier I assessment |
| Hazard Classes and Categories | Acute Tox. 4 (100%)Skin Corr. 1A (11.9%)Skin Irrit. 2 (59.7%)Skin Sens. 1 (23.9%)Eye Irrit. 2 (59.7%)STOT SE 3 (61.2%)Repr. 1B (23.9%) |
| Drug Induced Liver Injury | Drug Induced Liver Injury Rank (DILIrank 2.0)Hydroxyzine hydrochloridevNo-DILI-concernNo matchDOI:10.1016/j.drudis.2016.02.015 |